5-hydroxy-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}pyridine-2-carboxamide

• ChemBase ID: 626678
• Molecular Formular: C13H14N4O2
• Molecular Mass: 258.27586
• Monoisotopic Mass: 258.11167571
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1ncc(cc1)O
• Canonical SMILES: Oc1ccc(nc1)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C13H14N4O2/c18-9-4-5-10(14-7-9)13(19)16-12-8-15-11-3-1-2-6-17(11)12/h4-5,7-8,18H,1-3,6H2,(H,16,19)
• InChIKey: RMAWOSQTHIZUJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-hydroxy-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}pyridine-2-carboxamide
• IUPAC Traditional name: 5-hydroxy-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}pyridine-2-carboxamide
• Synonyms: 5-hydroxy-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 7.9658837
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.26038802
• LogD (pH = 7.4): 0.77526027
• Log P: 0.7977627
• Molar Refractivity: 70.0853 cm^3
• Polarizability: 25.985155 Å^3
• Polar Surface Area: 80.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.02
• LOG S: -1.96
• Polar Surface Area: 80.04 Å^2
• Rotatable Bonds: 2